Basic information
- CAS
40299-58-9- Standard SMILES
O=[N+]([O-])c1cccc(CP(=O)(O)O)c1- InChIKey
ZOCMCJIBOKTDGH-UHFFFAOYSA-N- Molecular formula
- C7H8NO5P
- Average molar mass
- 217.12 g/mol
- Monoisotopic mass
- 217.01400935
Names & identifiers
- Preferred name
- [(3-Nitrophenyl)methyl]phosphonic acid
- IUPAC
- (3-nitrophenyl)methylphosphonic acid
Names & synonyms
40299-58-9[(3-Nitrophenyl)methyl]phosphonic acidCHEMBL304543SCHEMBL2637757SCHEMBL2637758DTXSID80546436
Database identifiers
- CAS
40299-58-9- PubChem CID
- 13675397
- DTXSID
DTXSID80546436- ChEMBL
CHEMBL304543
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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